[3-(cyclopropylmethylamino)oxolan-3-yl]methanol

C9H17NO2 — CID 63333038

IUPAC[3-(cyclopropylmethylamino)oxolan-3-yl]methanol
SMILESOCC1(NCC2CC2)CCOC1
InChIInChI=1S/C9H17NO2/c11-6-9(3-4-12-7-9)10-5-8-1-2-8/h8,10-11H,1-7H2
InChIKeyOQALFVVSPRZIRF-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.14
Rot. Bonds4

About [3-(cyclopropylmethylamino)oxolan-3-yl]methanol

[3-(cyclopropylmethylamino)oxolan-3-yl]methanol (PubChem CID 63333038) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is [3-(cyclopropylmethylamino)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(cyclopropylmethylamino)oxolan-3-yl]methanol
PubChem CID63333038
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name[3-(cyclopropylmethylamino)oxolan-3-yl]methanol
SMILESOCC1(NCC2CC2)CCOC1
InChIInChI=1S/C9H17NO2/c11-6-9(3-4-12-7-9)10-5-8-1-2-8/h8,10-11H,1-7H2
InChIKeyOQALFVVSPRZIRF-UHFFFAOYSA-N
XLogP0.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethylamino)oxolan-3-yl]methanol?
The IUPAC name of [3-(cyclopropylmethylamino)oxolan-3-yl]methanol (CID 63333038) is [3-(cyclopropylmethylamino)oxolan-3-yl]methanol.
What is the SMILES notation for [3-(cyclopropylmethylamino)oxolan-3-yl]methanol?
The canonical SMILES for [3-(cyclopropylmethylamino)oxolan-3-yl]methanol is OCC1(NCC2CC2)CCOC1.
What is the InChIKey of [3-(cyclopropylmethylamino)oxolan-3-yl]methanol?
The InChIKey is OQALFVVSPRZIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-6-9(3-4-12-7-9)10-5-8-1-2-8/h8,10-11H,1-7H2.
What are the key properties of [3-(cyclopropylmethylamino)oxolan-3-yl]methanol?
[3-(cyclopropylmethylamino)oxolan-3-yl]methanol has a molecular weight of 171.24 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethylamino)oxolan-3-yl]methanol is sourced from PubChem (CID 63333038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).